Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 8/20 | 0.48 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL112035 | 0.90 | CNR2 (0.42) | CNR2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL115477 | 0.84 | CXCR3 (0.42) | CXCR3KCNH2TSHR | |
| SCHEMBL115324 | 0.83 | KCNH2 (0.41) | ERN1BRD4CREBBPCXCR3KCNH2 | |
| SCHEMBL115833 | 0.83 | CXCR3 (0.41) | CXCR3KCNH2 | |
| SCHEMBL115566 | 0.82 | KCNH2 (0.40) | CXCR3KCNH2 | |
| SCHEMBL113252 | 0.82 | CXCR3 (0.41) | CXCR3KCNH2 | |
| SCHEMBL113545 | 0.81 | CXCR3 (0.42) | CXCR3KCNH2 | |
| SCHEMBL113986 | 0.81 | CXCR3 (0.40) | CXCR3KCNH2ALDH1A1 | |
| SCHEMBL114268 | 0.81 | CXCR3 (0.40) | CXCR3KCNH2TSHR | |
| SCHEMBL113125 | 0.81 | CXCR3 (0.40) | CNR2CXCR3KCNH2ALDH1A1HTT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424840-A1 | CXCR3 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126811-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-04 | — | — | WO | disclosed |